1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine
TL;DR: 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine (CAS 333756-73-3) is a chemical compound with molecular formula C17H17FN2O3S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzenesulfonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
Also Known As: UPCMLD0ENAT5804785:001, 1-(3-fluorobenzoyl)-4-(phenylsulfonyl)piperazine, BAS 03050012, [4-(benzenesulfonyl)piperazin-1-yl]-(3-fluorophenyl)methanone, AT-057/41326237
| Molecular Formula | C17H17FN2O3S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.0944 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 333756-73-3 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3 |
| InChIKey | YMLMHVPSMBQVLI-UHFFFAOYSA-N |
Product Overview
1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine (CAS 333756-73-3), with molecular formula C17H17FN2O3S and molecular weight 348.09 g/mol. IUPAC: [4-(benzenesulfonyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
Chemical Property Profile of 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine
Property Insights of 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine?
The CAS number of 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine is 333756-73-3.
What is the molecular formula of 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine?
The molecular formula of 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine is C17H17FN2O3S.
What is the molecular weight of 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine?
The molecular weight of 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine is 348.09 g/mol.
Where can I buy 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine?
You can request a quote for 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorobenzoyl)-4-(phenylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.